Geometry & MOs

Info

ID:	31722
PubChem CID:	866161
Reduced:	N4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	519.1005
ΔH_f, kcal/mol:	147.0
Dipole, Da:	2.55
IP(EA), eV:	-8.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations